Reaction Details Report a problem with these data
Target
Cytochrome P450 2A6
Ligand
BDBM12341
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.5±n/a
IC50
160±n/a nM
Comments
extracted
Citation
 Cashman, JR Synthetic compounds and methods to decrease nicotine self-administration US Patent  US8906943 Publication Date 12/9/2014 
Target
Name:
Cytochrome P450 2A6
Synonyms:
1,4-cineole 2-exo-monooxygenase | 1.14.13.- | CP2A6_HUMAN | CYP2A3 | CYP2A6 | CYPIIA6 | Coumarin 7-hydroxylase | Cytochrome P450 2A6 | Cytochrome P450 IIA3 | Cytochrome P450(I)
Type:
Protein
Mol. Mass.:
56514.34
Organism:
Homo sapiens (Human)
Description:
P11509
Residue:
494
Sequence:
MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTFFLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEMFSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLARRVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQFKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKHVGFATIPRNYTMSFLPR
  
Inhibitor
Name:
BDBM12341
Synonyms:
CHEMBL178681 | CHEMBL359657 | US8609708, 1 | US8609708, 31 | [5-(pyridin-3-yl)thiophen-2-yl]methanamine | nicotine 3-heteroaromatic analogue 1a
Type:
Small organic molecule
Emp. Form.:
C10H10N2S
Mol. Mass.:
190.265
SMILES:
NCc1ccc(s1)-c1cccnc1
Structure:
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